ライフサイエンスコーパス: cocrystal

1 an organic solvate to be trapped in a binary cocrystal.

2 ze the findings based upon an Abl-compound 1 cocrystal.

3 he ppGpp binding site in the T. thermophilus cocrystal.

4 component combinations yielding at least one cocrystal.

5 C-I distance) in o-diiodotetrafluorobenzene cocrystals.

6 emonstration of THz spectroscopic imaging of cocrystals.

7 through X-ray analysis of the sugar-protein cocrystals.

8 ds, and in the manufacture of pharmaceutical cocrystals.

9 actions to the GAC tertiary structure in the cocrystals.

10 ch for the development of responsive organic cocrystals.

11 In contrast, its cocrystal analogue Zn[Ag(CN)(2)](2) x xAgCN exhibited mu

12 copy allows quantitative chemical mapping of cocrystals and offers researchers and drug developers a

13 Organic charge transfer cocrystals are inexpensive, modular, and solution-proces

14 Cocrystals are molecular complexes having crystal struct

15 These cocrystals are of considerable interest because of their

16 cteristics and formation process of this "1D-cocrystal" are examined with atomic detail by scanning t

17 AFM of cocrystals: Atomic force microscopy can be used to obser

18 ility is observed for members of a series of cocrystals based on systematic changes to one cocrystal

19 is presented for the construction of ternary cocrystals, based on the orthogonality of two supramolec

20 nsights into the formation process of the 1D-cocrystal but also the potential for applications as a m

21 hanochemical construction of a two-component cocrystal by grinding together phenazine (phen) and mesa

22 ng attempts to produce novel two-dimensional cocrystals by coadsorbing components in a binary mixture

23 d polymerization of diiodobutadiyne in these cocrystals, by subjecting them to high external pressure

24 as a result, the physical properties of the cocrystals can be related to the molecular structure of

25 Consequently, cocrystals can offer a range of solid forms from which c

26 R that could not be rationalized through the cocrystal complex, we sought to predict SAR through a QS

27 ocrystals based on systematic changes to one cocrystal component.

28 tified using THz spectroscopic data, and the cocrystal concentration was calculated with 0.3-1.3% w/w

29 These cocrystals contain aliphatic even-numbered dicarboxylic

30 The structure of a factor Xa cocrystal containing 7-fluoroindazole 51a showed the 7-f

31 We report a remarkable system of cocrystals containing nicotinamide (NIC) and (R)-mandeli

32 The formation of these cocrystals decreases energy but expands volume, in contr

33 it sharp peaks, enabling us to visualize the cocrystal distribution in nonuniform tablets.

34 The cocrystal distribution was clearly identified using THz

35 Conversely, the DADP/TITNB cocrystal features impact sensitivity that is greatly re

36 sion is general for the formation of all NIC cocrystals for which data exist (n = 40): +3.9 A(3)/mole

37 se of excipients, particle coating, salt, or cocrystal formation.

38 e mechanisms and pathways of mechanochemical cocrystal formation.

39 ere we report supramolecular charge-transfer cocrystals formed by electron acceptor and donor molecul

40 In the cocrystals formed with bis(pentanenitrile) oxalamide (4)

41 lization and why some molecules are prolific cocrystal formers.

42 st, centimeter-long, organic charge transfer cocrystals have been grown by liquid-liquid diffusion un

43 Although the properties of these cocrystals have been investigated for decades, the princ

44 ntial photobehavior of the pure crystals and cocrystals highlights the importance of TU in templating

45 oxalamide (5), where the host and guest form cocrystals in a 1:1 ratio, the polymerization is disfavo

46 able polymorph of the caffeine-glutaric acid cocrystal into the thermodynamically stable form was ana

47 t the ppGpp binding pocket identified in the cocrystal is not the one responsible for regulation of E

48 (GAC) of 23S ribosomal RNA (rRNA) as seen in cocrystals is extremely compact.

49 between relative module composition and the cocrystal lattice parameters.

50 bromobutadiyne, via topochemical reaction in cocrystals, leading to the ordered polymer poly(dibromod

51 mpact sensitivity of DADP is retained by the cocrystal, making it a denser and less volatile form of

52 nlike the crystal with virtual porosity, the cocrystal material remains single crystalline and porous

53 THz spectra of caffeine-oxalic acid cocrystal measured at low temperature exhibit sharp peak

54 omposition and fidelity of patterning in the cocrystal monolayers requires an additional source of "m

55 Patterned cocrystal monolayers self-assemble on HOPG in contact wi

56 ay structuring supports the formation of the cocrystal of 5 with 3,5-diamino-1,2,4-triazole, which wa

57 report a structure at 2.8-A resolution of a cocrystal of a She2p tetramer bound to a segment of She3

58 Analysis of the X-ray cocrystal of compound 51 bound to hGKRP revealed that th

59 Enzyme kinetics and the structure of a cocrystal of IRE1 complexed with ADP and quercetin revea

60 A cocrystal of PABC bound to LARP4 PAM2w shows tryptophan

61 Eight 2:1 cocrystals of amino acid zwitterions and Li(+) salts wer

62 Five cocrystals of an anticancer compound have been assembled

63 Cocrystals of arachidonic acid and horse spleen apoferri

64 Cocrystals of both macro- and nanodimensions with highly

65 ution and X-ray crystallographic analysis of cocrystals of pyrene and NACs in the solid state indicat

66 While cocrystals of these eleven olefins photodimerized to a s

67 A series of cocrystals of three different diiodobenzene molecules an

68 The designs and dimensions of the cocrystal patterns (unit cells) are determined by (i) th

69 ivity of a wide range of molecular and ionic cocrystals, pharmaceuticals, materials, and biomolecules

70 The noncentrosymmetric nature of the cocrystals, required to observe ferroelectric behavior,

71 data and the X-ray structure of the CR2-C3d cocrystal result in highest-scoring solutions in which C

72 X-ray analysis of a methylated DNA-MBD cocrystal reveals, however, that the methyl groups make

73 The solid-state superstructure of the cocrystals reveals that a 2:1 ratio of acceptor to donor

74 tute a second recognition element needed for cocrystal self-assembly.

75 This dramatic difference in cocrystal sensitivities may stem from the significantly

76 nd strengths and solid-state properties, and cocrystal series such as that presented here provide a p

77 Completely polymerized PIDA cocrystals show a highly resolved vibronic progression i

78 The melting points of the five cocrystals show an excellent correlation with the meltin

79 property can be dialed in, provided that the cocrystals show considerable structural consistency and

80 ption spectra of these suspensions match the cocrystal spectrum, without the vibronic resolution.

81 The resulting cocrystals start out pale blue but turn shiny and copper

82 c binding of norathyriol with ERK2 through a cocrystal structural analysis.

83 odel for Machupo virus, for which a suitable cocrystal structural template exists.

84 The E. faecalis mvaS-hymeglusin cocrystal structure (1.95 A) reveals virtually complete

85 This cocrystal structure allowed the design of a covalent inh

86 ctivity relationship (SAR) studies and X-ray cocrystal structure analysis allowed a detailed assessme

87 An X-ray cocrystal structure and a refined binding model allowed

88 pyldiamidophosphate (DDP), is present in the cocrystal structure and bound by coordinating the binucl

89 ting the CR2-C3d interface identified in the cocrystal structure and the surrounding area results in

90 to BRPF1B was rationalized through an X-ray cocrystal structure determination, which showed a flippe

91 The cocrystal structure for one of these antibodies, D25, in

92 Modeling onto a CYT-18/group I intron cocrystal structure indicates that the C-terminal domain

93 site on CR2 have indicated that the CR2-C3d cocrystal structure may represent an encounter/intermedi

94 On the basis of cocrystal structure of 1 in human PDE10A enzyme, we desi

95 The X-ray cocrystal structure of 1 with the ALK kinase domain reve

96 The cocrystal structure of 10 with MDM2 inspired two indepen

97 With the aid of an unphosphorylated Akt1 cocrystal structure of 12j solved at 2.25 A, it was poss

98 We have determined a cocrystal structure of 18 in complex with BRD4 BD2 at 1.

99 From an X-ray cocrystal structure of 2.CA-II, Winum et al. proposed th

100 Cocrystal structure of 26 in PDE10A confirmed the bindin

101 The cocrystal structure of 3 (PHA-665752), bound to c-MET ki

102 Determination of the cocrystal structure of 31 with BRD4 BD2 provides a struc

103 Guided by the cocrystal structure of 5, SAR exploration revealed that

104 esis of new cathepsin B inhibitors using the cocrystal structure of 5-nitro-8-hydroxyquinoline in the

105 Although a cocrystal structure of a complex between C3d and the lig

106 We report the 2.05-A resolution cocrystal structure of a complex of BioH with pimeloyl-A

107 As revealed by a cocrystal structure of a core MOBKL1B-NS5A peptide compl

108 We now report a cocrystal structure of a CR2(SCR1-2):C3d complex at 3.2

109 ence alignments with a previously determined cocrystal structure of a CYT-18/group I intron RNA compl

110 A cocrystal structure of a related compound with PIM-1 and

111 or 2 (TLR2), were designed making use of the cocrystal structure of a TLR2 heterodimer (with TLR1) wi

112 for inhibitor interaction, we determined the cocrystal structure of ABL2 with the oncology drug imati

113 A cocrystal structure of an anti-K63 linkage Fab bound to

114 Here we present the cocrystal structure of an engineered thermostable varian

115 The 2.2 A resolution cocrystal structure of an inactive variant in complex wi

116 e oligomeric ligand:NP complex, and an X-ray cocrystal structure of an NP dimer of trimers (or hexame

117 The cocrystal structure of antibody 10E8v4 with its HIV-1 ep

118 Elucidation of the cocrystal structure of AsbF with 3,4-DHBA, in conjunctio

119 cture of AurF in the oxidized state, and the cocrystal structure of AurF with its product pNBA.

120 The cocrystal structure of CAP257-RH1 bound to RHPA gp120 re

121 Here, we determine the cocrystal structure of chicken ASIC1a with MitTx, a pain

122 Guided by the X-ray cocrystal structure of compound 1 bound to hGKRP, we ide

123 Furthermore, a cocrystal structure of compound 24 complexed to TNKS1 de

124 d were prepared taking advantage of an X-ray cocrystal structure of compound 5 with GSK-3beta.

125 The cocrystal structure of CR2 with its ligand C3d provides

126 A cocrystal structure of CS292 in complex with the BRAF ki

127 he active site of the enzyme, as seen in the cocrystal structure of derivative 31 with the homodimeri

128 the ones reported for 1) the high resolution cocrystal structure of epothilone A with an alpha,beta-t

129 d as an irreversible covalent inhibitor, the cocrystal structure of FAAH complexed with compound 2 re

130 We here report the cocrystal structure of FKBP51 with a simplified alpha-ke

131 l structure of the G9a-10 complex, the first cocrystal structure of G9a with a small molecule inhibit

132 al structure of the G9a-8 complex, the first cocrystal structure of G9a with a small molecule inhibit

133 A 2.9 A cocrystal structure of JAK3 in complex with 9 confirms t

134 The cocrystal structure of Mer with two compounds (7 and 22)

135 The cocrystal structure of NBD-11021 complexed to a monomeri

136 A UTP cocrystal structure of one mutant shows, in contrast to

137 Importantly, we report a cocrystal structure of one of our compounds (29c) bound

138 rther understand the mode of inhibition, the cocrystal structure of one of the most promising candida

139 The cocrystal structure of one of these compounds with caspa

140 A cocrystal structure of one such inhibitor reveals specif

141 s enabled the acquisition of the first X-ray cocrystal structure of p110beta with the selective inhib

142 A 1.65 A cocrystal structure of PAK1 with Lambda-FL172 reveals ho

143 In a previous study, a cocrystal structure of PPARgamma bound to 2-chloro-N-(3-

144 On the basis of the cocrystal structure of RAP1/TRF2 complex, we have develo

145 d with wild type MDD, as judged by the 2.1 A cocrystal structure of S192A with FMVAPP.

146 nto inhibition of MPO by SPIN, we solved the cocrystal structure of SPIN bound to a recombinant form

147 HF three-dimensional structure, based on the cocrystal structure of Streptomyces coelicolor IHF duple

148 A cocrystal structure of T1317 (3) bound to hLXRbeta was u

149 A cocrystal structure of T338C c-Src with a vinylsulfonami

150 A 2.4 A cocrystal structure of TAK1 in complex with 1 confirms t

151 The cocrystal structure of the 1918 hemagglutinin with 2D1,

152 In this study, a cocrystal structure of the acetylcholine binding protein

153 The X-ray cocrystal structure of the Actinomadura R39 DD-peptidase

154 With the cocrystal structure of the best ligand in this novel ser

155 molecular basis of this discrimination, the cocrystal structure of the chemical inhibitor is solved

156 On the basis of the cocrystal structure of the HTS-hit 2 in the BACE1 active

157 d by molecular modeling studies based on the cocrystal structure of the HTS-hit 3 in the BACE1 active

158 h a previously reported small molecule X-ray cocrystal structure of the Jak1 kinase domain, provided

159 A cocrystal structure of the ligand-binding domain of ERRa

160 We determine the cocrystal structure of the MeCP2 NID in complex with the

161 In the cocrystal structure of the mutated Ls-AChBP with the hig

162 We report the 1.8-A cocrystal structure of the PksA PT domain from aflatoxin

163 conformational change in GlpG by solving the cocrystal structure of the protease with a mechanism-bas

164 The cocrystal structure of the related oxindole hydrazide c-

165 A cocrystal structure of the SAR405838:MDM2 complex shows

166 A cocrystal structure of the structurally related analog 1

167 A cocrystal structure of this compound with the D204A enzy

168 The cocrystal structure of this enzyme with a transition sta

169 scopy and is complemented by a comprehensive cocrystal structure prediction methodology that surpasse

170 A 2.0 A cocrystal structure revealed the inhibitor to be the acy

171 The resulting cocrystal structure revealed the specific ligand-protein

172 petitive with acetyl coenzyme A and an X-ray cocrystal structure reveals that binding is biased towar

173 The 2.3-A cocrystal structure reveals that the A trisaccharide bin

174 The cocrystal structure to 2.0-A resolution of this N-termin

175 We determine the acetylcholine-ELIC cocrystal structure to a 2.9-A resolution and find that

176 The cocrystal structure validated our binding hypothesis and

177 A ligand-bound cocrystal structure was determined which elucidated key

178 An X-ray cocrystal structure was solved with 3g and the kinase do

179 The Nampt-7 cocrystal structure was subsequently obtained and enable

180 An X-ray cocrystal structure with BACE-1 revealed a novel mode of

181 d a dimer form of MAGI-1 PDZ domain 1 in the cocrystal structure with E6 peptide, which may have func

182 derivative of 4-aminophenylalanine, and its cocrystal structure with gp120 revealed the cyclohexane

183 A cocrystal structure with one of these compounds and ATX

184 ty relationships and a high resolution X-ray cocrystal structure with West Nile virus protease provid

185 the first described potentiator-bound X-ray cocrystal structure within this class of ligand-gated io

186 In the AcrB/doxorubicin cocrystal structure, binding of three doxorubicin molecu

187 of the structural insights revealed by this cocrystal structure, optimization of the 7-dimethylamino

188 vinblastine C20' center depicted in an X-ray cocrystal structure, remarkably large C20' urea derivati

189 yltransferase in Pseudomonas aeruginosa This cocrystal structure, together with the structure of free

190 pound 46b and Chk1 kinase, revealed by X-ray cocrystal structure, were hydrogen bonds between the hin

191 developed a more potent analog and solved a cocrystal structure, which is the first crystal structur

192 previously published results and the RT-EFV cocrystal structure.

193 t halogen-peroxide interactions seen in each cocrystal structure.

194 obtain the first human PARG substrate-enzyme cocrystal structure.

195 N terminus of MEKK3, and determine a 2.35 A cocrystal structure.

196 Two LovC cocrystal structures and enzymological studies help eluc

197 Cocrystal structures and molecular dynamics simulations

198 Cocrystal structures at atomic resolution revealed that

199 Finally, on the basis of 11 cocrystal structures bound to CDK9/cyclin T or CDK2/cycl

200 Cocrystal structures corroborated the docking prediction

201 High-resolution cocrystal structures delineated a unique ligand-binding

202 ular details of the interactions revealed by cocrystal structures efficiently describe the properties

203 Additionally, we obtained high-resolution cocrystal structures for a majority of the compounds.

204 An ensemble of crystal and cocrystal structures for LeuRS, IleRS, and ValRS suggest

205 del that was trained on all antibody-antigen cocrystal structures in the Protein Data Bank.

206 his observation can be rationalized based on cocrystal structures of (R)-4 and (R)-7 bound to acetylc

207 The cocrystal structures of (S)-37 and (R)-38 showed similar

208 l information derived from PI3K gamma-ligand cocrystal structures of 1 and 2 were used to design inhi

209 Cocrystal structures of 16 and 18 complexed with WDR5 pr

210 Cocrystal structures of 20by with both PARP-1 and PARP-2

211 X-ray cocrystal structures of 8 and 19 bound to the Jak2 kinas

212 We report the cocrystal structures of a computationally designed and e

213 he structure-activity relationship (SAR) and cocrystal structures of a series of Nek2 inhibitors deri

214 The cocrystal structures of actinorhodin polyketide ketoredu

215 Here, we present several cocrystal structures of BjaI, a CoA-dependent LuxI homol

216 tructure-based design was performed using 35 cocrystal structures of CDK2 liganded with distinct anal

217 Cocrystal structures of compounds 1 and 20 bound to huma

218 enzymes efficiently remove NAD(+) caps, and cocrystal structures of DXO/Rai1 with 3'-NADP(+) illumin

219 Cocrystal structures of EphB3 in complex with two quinaz

220 Cocrystal structures of Escherichia coli RNA polymerase

221 We also report the cocrystal structures of FB bound with phenylarsine oxide

222 Furthermore, cocrystal structures of five of these SPROUT-designed in

223 The cocrystal structures of GLP and G9a in the complex with

224 Here we present two cocrystal structures of human SerRS bound with tRNA(Sec)

225 tanding of these determinants, we determined cocrystal structures of Imatinib and Sorafenib with p38a

226 X-ray cocrystal structures of key compounds with XIAP BIR2 sug

227 We present cocrystal structures of KRIT1 with ICAP1 and ICAP1 with

228 Cocrystal structures of mesotrypsin with HAI2 and bikuni

229 We also report the high-resolution X-ray cocrystal structures of NV 3CLpro-, poliovirus 3Cpro-, a

230 Cocrystal structures of PDE5 catalytic (C) domain with i

231 s conclusion is based on binding studies and cocrystal structures of PHD(UHRF1) bound to histone H3 p

232 Cocrystal structures of potent inhibitors with PvSHMT we

233 s are known to interact with CL, and several cocrystal structures of protein-CL complexes exist.

234 during our hit to lead campaign, along with cocrystal structures of representatives with Mtb TMK.

235 structure-activity relationship studies, and cocrystal structures of the 18 hit compounds were analyz

236 The X-ray cocrystal structures of the early lead compound 12 and c

237 Here, we report five cocrystal structures of the enzyme complexed with both a

238 Cocrystal structures of the inhibitors bound to CHK1 rev

239 Recently solved cocrystal structures of the MV attachment protein (hemag

240 Here we disclose the first high resolution cocrystal structures of the P. aeruginosa PBP3 with both

241 ion were proposed to play important roles in cocrystal structures of the TonB carboxy terminus with O

242 +) (1.7 A resolution), as well as four other cocrystal structures of thermostable PTDH and its varian

243 Cocrystal structures of these macrocyclic natural produc

244 transfer difference (STD) NMR and the first cocrystal structures of two potent in vitro inhibitors,

245 Although approximately 17 cocrystal structures of unique TCR-pMHC complexes have b

246 e apo crystal structure of WhiE ARO/CYC, and cocrystal structures of WhiE and TcmN ARO/CYCs bound wit

247 alytic cleft of all 1252 human kinase-ligand cocrystal structures present in the Protein Data Bank (P

248 Cocrystal structures provide insight into the structural

249 a number of high-resolution enzyme-substrate cocrystal structures provided significant insights into

250 iterative parallel synthesis guided by X-ray cocrystal structures resulted in rapid potency improveme

251 ce differences exceeding 50%, antibody-gp120 cocrystal structures reveal VRC01-class recognition to b

252 Cocrystal structures revealed 3 binds to an unexpected a

253 Intriguingly, cocrystal structures revealed an unexpected inverted bin

254 Cocrystal structures revealed binding modes of RVX-208 a

255 X-ray cocrystal structures revealed that the K9M residue of hi

256 Cocrystal structures show that clomipramine, along with

257 dies reveal a nonlinear SAR for Nek2 and our cocrystal structures show that compounds in this series

258 Cocrystal structures show that, in addition to electrost

259 Cocrystal structures showed that PFI-1 acts as an acetyl

260 Cocrystal structures suggest that the orthologous part o

261 nes and related compounds in published X-ray cocrystal structures were analyzed.

262 Cocrystal structures were determined at 2.2 and 2.7 angs

263 High-resolution X-ray cocrystal structures were used to optimize the structure

264 1.35 A TAT cocrystal structures with bisubstrate analogs constrain

265 Here, we describe the use of cocrystal structures with inhibitors and substrates, alo

266 Five new cocrystal structures with PvSHMT were solved at 2.3-2.6

267 different conformations in their respective cocrystal structures with RNA polymerase, reflecting its

268 Comparison of cocrystal structures with structure-activity relationshi

269 In addition, auristatin cocrystal structures with tubulin are being presented th

270 with assay results, docking simulations, and cocrystal structures, a model for stereochemical control

271 Guided by X-ray cocrystal structures, fragment 1 was elaborated into a n

272 rom ATP to dTMP, was proposed based on X-ray cocrystal structures, homology models, and structure-act

273 imarily focused on obtaining ligand-receptor cocrystal structures, recent studies implicate an import

274 series based on multiple ligand/KDM1A-CoRest cocrystal structures, which led to several extremely pot

275 rationalized on the basis of multiple X-ray cocrystal structures.

276 nhibitors through the iterative use of X-ray cocrystal structures.

277 information gained from multiple ligand-CDK2 cocrystal structures.

278 unresolved in all five MeV H-head crystal or cocrystal structures.

279 s, which is stabilized by the L11 protein in cocrystal structures.

280 g into the previously disclosed 3-CRBN-GSPT1 cocrystal ternary complex.

281 A 2D cocrystal that displays random mixing along one axis and

282 emonstrating for the first time an energetic cocrystal that is less sensitive to impact than either o

283 by imaging in the microscope an amyloid-dye cocrystal that, upon excitation, converts light into mec

284 between the building blocks leads to binary cocrystals that have alternating donors and acceptors ex

285 re we report a series of energetic-energetic cocrystals that incorporate the primary explosive diacet

286 g sensitivity, in the case of the DADP/TCTNB cocrystal, the high impact sensitivity of DADP is retain

287 In the enzyme-DNA cocrystal, the single catalytic site binds two magnesium

288 in water suspensions of micrometer-sized 6.1 cocrystals; the size distribution of these microcrystals

289 ve assignment of at least one feature in the cocrystal THz spectrum.

290 ne proteases to determine selectivity, and a cocrystal was obtained of our most potent analogue bound

291 The final form, a phosphoric acid cocrystal, was produced in high yield and purity and wit

292 Another brick in the wall: Porous ternary cocrystals were prepared by chiral recognition between o

293 Structure determination of a cocrystal with TFIIS reveals a rearrangement whereby cle

294 s) from Alteromonas sp. strain JD6.5 and its cocrystal with the inhibitor mipafox [N,N'-diisopropyldi

295 Diiodobutadiyne forms cocrystals with bis(pyridyl)oxalamides in which the diyn

296 to -18 degrees C), dibromobutadiyne can form cocrystals with oxalamide host molecules containing eith

297 The cocrystals with the bis(nitrile) oxalamide host undergo

298 ime-dependent noncompetitive inhibition, the cocrystal X-ray structure of 3 bound to a humanized vari

299 Three cocrystal X-ray structures of the alpha-ketoheterocycle

300 The cocrystal X-ray structures of two isomeric alpha-ketooxa